6UUJ
Structure of PE5-PPE4-EspG3 complex from the type VII (ESX-3) secretion system, space group P212121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-05 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.265, 158.630, 209.314 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.515 - 3.000 |
| R-factor | 0.2679 |
| Rwork | 0.266 |
| R-free | 0.30150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6vhr |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.528 |
| Data reduction software | XDS (VERSION Jan 26, 2018 BUILT=20180319) |
| Data scaling software | XSCALE (VERSION Mar 15, 2019 BUILT=20190606) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.515 | 39.515 | 3.080 |
| High resolution limit [Å] | 3.000 | 13.420 | 3.000 |
| Rmerge | 0.131 | 0.019 | 1.563 |
| Rmeas | 0.149 | 0.022 | 1.779 |
| Total number of observations | 205287 | ||
| Number of reflections | 48621 | 596 | 3525 |
| <I/σ(I)> | 9.45 | 38.48 | 1.14 |
| Completeness [%] | 99.1 | 92.8 | 99.5 |
| Redundancy | 4.222 | 3.673 | 4.351 |
| CC(1/2) | 0.998 | 1.000 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium tartrate dibasic, 20% PEG3350 |
